benzyl N-[3-(3-amino-4-methyl-2-pyridinyl)-2,3-dihydroxypropyl]carbamate

C17H21N3O4 — CID 171855595

IUPACbenzyl N-[3-(3-amino-4-methyl-2-pyridinyl)-2,3-dihydroxypropyl]carbamate
SMILESCc1ccnc(C(O)C(O)CNC(=O)OCc2ccccc2)c1N
InChIInChI=1S/C17H21N3O4/c1-11-7-8-19-15(14(11)18)16(22)13(21)9-20-17(23)24-10-12-5-3-2-4-6-12/h2-8,13,16,21-22H,9-10,18H2,1H3,(H,20,23)
InChIKeyCYUQCWNPIYBXLM-UHFFFAOYSA-N
MW331.37 g/mol
LogP1.29
Rot. Bonds6

About benzyl N-[3-(3-amino-4-methyl-2-pyridinyl)-2,3-dihydroxypropyl]carbamate

benzyl N-[3-(3-amino-4-methyl-2-pyridinyl)-2,3-dihydroxypropyl]carbamate (PubChem CID 171855595) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is benzyl N-[3-(3-amino-4-methyl-2-pyridinyl)-2,3-dihydroxypropyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-(3-amino-4-methyl-2-pyridinyl)-2,3-dihydroxypropyl]carbamate
PubChem CID171855595
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Namebenzyl N-[3-(3-amino-4-methyl-2-pyridinyl)-2,3-dihydroxypropyl]carbamate
SMILESCc1ccnc(C(O)C(O)CNC(=O)OCc2ccccc2)c1N
InChIInChI=1S/C17H21N3O4/c1-11-7-8-19-15(14(11)18)16(22)13(21)9-20-17(23)24-10-12-5-3-2-4-6-12/h2-8,13,16,21-22H,9-10,18H2,1H3,(H,20,23)
InChIKeyCYUQCWNPIYBXLM-UHFFFAOYSA-N
XLogP1.29
TPSA117.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 51.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl N-[2,3-dihydroxy-3-(4-methyl-3-pyridinyl)propyl]carbamate
CID 171855417
2-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]pyridine-3-carboxylic acid
CID 171856017
2-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]-3-fluoropyridine-4-carboxylic acid
CID 171856350
benzyl N-[3-(3-cyano-2-pyridinyl)-2,3-dihydroxypropyl]carbamate
CID 171855591
benzyl N-[3-(3-amino-6-methoxy-2-pyridinyl)-2,3-dihydroxypropyl]carbamate
CID 171855925
benzyl N-[3-(2,4-dichloro-3-pyridinyl)-2,3-dihydroxypropyl]carbamate
CID 171855676
benzyl N-[2,3-dihydroxy-3-[4-(hydroxymethyl)-2-pyridinyl]propyl]carbamate
CID 171855701
4-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]-3-methylbenzoic acid
CID 171856230
benzyl N-[2,3-dihydroxy-3-(5-methoxy-2-methylphenyl)propyl]carbamate
CID 171855851
benzyl N-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]carbamate
CID 124679296
benzyl N-[3-(1-aminoisoquinolin-4-yl)-2,3-dihydroxypropyl]carbamate
CID 171856679
benzyl N-[2,3-dihydroxy-3-[2-methyl-4-(trifluoromethyl)phenyl]propyl]carbamate
CID 171856434

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(3-amino-4-methyl-2-pyridinyl)-2,3-dihydroxypropyl]carbamate?
The IUPAC name of benzyl N-[3-(3-amino-4-methyl-2-pyridinyl)-2,3-dihydroxypropyl]carbamate (CID 171855595) is benzyl N-[3-(3-amino-4-methyl-2-pyridinyl)-2,3-dihydroxypropyl]carbamate.
What is the SMILES notation for benzyl N-[3-(3-amino-4-methyl-2-pyridinyl)-2,3-dihydroxypropyl]carbamate?
The canonical SMILES for benzyl N-[3-(3-amino-4-methyl-2-pyridinyl)-2,3-dihydroxypropyl]carbamate is Cc1ccnc(C(O)C(O)CNC(=O)OCc2ccccc2)c1N.
What is the InChIKey of benzyl N-[3-(3-amino-4-methyl-2-pyridinyl)-2,3-dihydroxypropyl]carbamate?
The InChIKey is CYUQCWNPIYBXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-11-7-8-19-15(14(11)18)16(22)13(21)9-20-17(23)24-10-12-5-3-2-4-6-12/h2-8,13,16,21-22H,9-10,18H2,1H3,(H,20,23).
What are the key properties of benzyl N-[3-(3-amino-4-methyl-2-pyridinyl)-2,3-dihydroxypropyl]carbamate?
benzyl N-[3-(3-amino-4-methyl-2-pyridinyl)-2,3-dihydroxypropyl]carbamate has a molecular weight of 331.37 g/mol, XLogP of 1.29, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(3-amino-4-methyl-2-pyridinyl)-2,3-dihydroxypropyl]carbamate is sourced from PubChem (CID 171855595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).